Talk:Mod:ja2209module2

Brief feedback on your wiki, all students are welcome to contact me for more detailed feedback. Your grade will be returned to blackboard.

comments BX3

Excellent discussion. An introduction to the optimisation process and the degenerate vibration in BH3 with respect to IR spectra was expected.

comments TM

Excellent discussion covering all the points

comments project

A good overall project. You have put a lot of effort into getting the calculations right, however the use of MP2 may have given you more chemical data. An excellent attempt at interpretion of data, however your interpretation of the MOs and subsequent NBO analysis indicate some misconceptions of the results presented. Furthermore the presentation of your results is well structured, however you should look at the number of decimal places used as well as the significance of differences.